4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]benzonitrile Formula: C17H10F3N3S MolecularWeight: 345.34161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H10F3N3S/c18-17(19,20)16-22-14-4-2-1-3-13(14)15(23-16)24-10-12-7-5-11(9-21)6-8-12/h1-8H,10H2